azane;2,2,2-trifluoroethylbenzene;hydrochloride

C8H11ClF3N — CID 175467010

IUPACazane;2,2,2-trifluoroethylbenzene;hydrochloride
SMILESCl.FC(F)(F)Cc1ccccc1.N
InChIInChI=1S/C8H7F3.ClH.H3N/c9-8(10,11)6-7-4-2-1-3-5-7;;/h1-5H,6H2;1H;1H3
InChIKeyPBUWDXCMXHTSRV-UHFFFAOYSA-N
MW213.63 g/mol
LogP3.38
Rot. Bonds1

About azane;2,2,2-trifluoroethylbenzene;hydrochloride

azane;2,2,2-trifluoroethylbenzene;hydrochloride (PubChem CID 175467010) has the molecular formula C8H11ClF3N and a molecular weight of 213.63 g/mol. Its IUPAC name is azane;2,2,2-trifluoroethylbenzene;hydrochloride.

Molecular Properties

Compound Nameazane;2,2,2-trifluoroethylbenzene;hydrochloride
PubChem CID175467010
Molecular FormulaC8H11ClF3N
Molecular Weight213.63 g/mol
Exact Mass213.05
IUPAC Nameazane;2,2,2-trifluoroethylbenzene;hydrochloride
SMILESCl.FC(F)(F)Cc1ccccc1.N
InChIInChI=1S/C8H7F3.ClH.H3N/c9-8(10,11)6-7-4-2-1-3-5-7;;/h1-5H,6H2;1H;1H3
InChIKeyPBUWDXCMXHTSRV-UHFFFAOYSA-N
XLogP3.38
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.63
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2,2,2-trifluoroethylbenzene
CID 142152613
1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361
N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
CID 142549273
1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene
CID 122231581
(2-fluoro-2-methylpropyl)benzene
CID 14343442
3-(2,2,2-trifluoroethyl)aniline
CID 54595012
2,2-difluorobutylbenzene
CID 12695736
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
CID 70815571
1,1,1,2-tetrafluoro-3-phenylpropan-2-amine
CID 174465813
1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
CID 159571173
3-benzyl-3,4,4,4-tetrafluorobutan-1-amine
CID 115040640

Frequently Asked Questions

What is the IUPAC name of azane;2,2,2-trifluoroethylbenzene;hydrochloride?
The IUPAC name of azane;2,2,2-trifluoroethylbenzene;hydrochloride (CID 175467010) is azane;2,2,2-trifluoroethylbenzene;hydrochloride.
What is the SMILES notation for azane;2,2,2-trifluoroethylbenzene;hydrochloride?
The canonical SMILES for azane;2,2,2-trifluoroethylbenzene;hydrochloride is Cl.FC(F)(F)Cc1ccccc1.N.
What is the InChIKey of azane;2,2,2-trifluoroethylbenzene;hydrochloride?
The InChIKey is PBUWDXCMXHTSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3.ClH.H3N/c9-8(10,11)6-7-4-2-1-3-5-7;;/h1-5H,6H2;1H;1H3.
What are the key properties of azane;2,2,2-trifluoroethylbenzene;hydrochloride?
azane;2,2,2-trifluoroethylbenzene;hydrochloride has a molecular weight of 213.63 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2,2-trifluoroethylbenzene;hydrochloride is sourced from PubChem (CID 175467010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).