1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride

C16H18ClF3N2O — CID 171176421

IUPAC1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccccc1[C@@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C16H17F3N2O.ClH/c17-16(18,19)13-5-2-1-4-12(13)15(14-6-3-11-22-14)21-9-7-20-8-10-21;/h1-6,11,15,20H,7-10H2;1H/t15-;/m0./s1
InChIKeyOBESCBJTFKCPPX-RSAXXLAASA-N
MW346.78 g/mol
LogP3.71
Rot. Bonds3

About 1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride

1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171176421) has the molecular formula C16H18ClF3N2O and a molecular weight of 346.78 g/mol. Its IUPAC name is 1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
PubChem CID171176421
Molecular FormulaC16H18ClF3N2O
Molecular Weight346.78 g/mol
Exact Mass346.11
IUPAC Name1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccccc1[C@@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C16H17F3N2O.ClH/c17-16(18,19)13-5-2-1-4-12(13)15(14-6-3-11-22-14)21-9-7-20-8-10-21;/h1-6,11,15,20H,7-10H2;1H/t15-;/m0./s1
InChIKeyOBESCBJTFKCPPX-RSAXXLAASA-N
XLogP3.71
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-furan-2-yl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176785
1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180697
1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 7047794
1-[(S)-[3-chloro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171177928
1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
CID 171177505
1-[(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171176743
1-[(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-(furan-2-yl)methyl]piperazine
CID 171178115
1-[(R)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-(furan-2-yl)methyl]piperazine
CID 171181512
1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4305876
2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
CID 171175036

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride (CID 171176421) is 1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride is Cl.FC(F)(F)c1ccccc1[C@@H](c1ccco1)N1CCNCC1.
What is the InChIKey of 1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is OBESCBJTFKCPPX-RSAXXLAASA-N. The full InChI is InChI=1S/C16H17F3N2O.ClH/c17-16(18,19)13-5-2-1-4-12(13)15(14-6-3-11-22-14)21-9-7-20-8-10-21;/h1-6,11,15,20H,7-10H2;1H/t15-;/m0./s1.
What are the key properties of 1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 346.78 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171176421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).