(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

C10H11Cl3F3N — CID 171224120

IUPAC(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCC(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2F3N.ClH/c11-7-3-1-2-6(9(7)12)8(16)4-5-10(13,14)15;/h1-3,8H,4-5,16H2;1H/t8-;/m0./s1
InChIKeyKVUAHDNAZWVPKE-QRPNPIFTSA-N
MW308.56 g/mol
LogP4.76
Rot. Bonds3

About (1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (PubChem CID 171224120) has the molecular formula C10H11Cl3F3N and a molecular weight of 308.56 g/mol. Its IUPAC name is (1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
PubChem CID171224120
Molecular FormulaC10H11Cl3F3N
Molecular Weight308.56 g/mol
Exact Mass306.99
IUPAC Name(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCC(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2F3N.ClH/c11-7-3-1-2-6(9(7)12)8(16)4-5-10(13,14)15;/h1-3,8H,4-5,16H2;1H/t8-;/m0./s1
InChIKeyKVUAHDNAZWVPKE-QRPNPIFTSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171231678
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-6-chlorophenol
CID 171204748
(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171204140
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
(1S)-4,4,4-trifluoro-1-(2-fluorophenyl)butan-1-amine;hydrochloride
CID 171218619
(1S,3S)-3-amino-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237305
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171203694
(1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride
CID 171204537

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (CID 171224120) is (1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is Cl.N[C@@H](CCC(F)(F)F)c1cccc(Cl)c1Cl.
What is the InChIKey of (1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The InChIKey is KVUAHDNAZWVPKE-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H10Cl2F3N.ClH/c11-7-3-1-2-6(9(7)12)8(16)4-5-10(13,14)15;/h1-3,8H,4-5,16H2;1H/t8-;/m0./s1.
What are the key properties of (1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride has a molecular weight of 308.56 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 171224120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).