azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride

C8H10Cl2F3N — CID 175581102

IUPACazane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride
SMILESCl.FC(F)C(F)c1ccc(Cl)cc1.N
InChIInChI=1S/C8H6ClF3.ClH.H3N/c9-6-3-1-5(2-4-6)7(10)8(11)12;;/h1-4,7-8H;1H;1H3
InChIKeyMJPLMHWPKIXCBN-UHFFFAOYSA-N
MW248.08 g/mol
LogP4.20
Rot. Bonds2

About azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride

azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride (PubChem CID 175581102) has the molecular formula C8H10Cl2F3N and a molecular weight of 248.08 g/mol. Its IUPAC name is azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride.

Molecular Properties

Compound Nameazane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride
PubChem CID175581102
Molecular FormulaC8H10Cl2F3N
Molecular Weight248.08 g/mol
Exact Mass247.01
IUPAC Nameazane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride
SMILESCl.FC(F)C(F)c1ccc(Cl)cc1.N
InChIInChI=1S/C8H6ClF3.ClH.H3N/c9-6-3-1-5(2-4-6)7(10)8(11)12;;/h1-4,7-8H;1H;1H3
InChIKeyMJPLMHWPKIXCBN-UHFFFAOYSA-N
XLogP4.20
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908
azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene
CID 175581175
(4-chlorophenyl)-fluoromethanol
CID 174952192
3-(4-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105453998
azane;1,4-dichlorobenzene
CID 69330361
2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
CID 12799522
2-(4-chlorophenyl)-2-fluoroacetic acid
CID 12602113
1-chloro-4-(3-chloro-1-fluoropropyl)benzene
CID 23180218
hexakis(1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene);hexahydrochloride
CID 173372459
1-chloro-4-(dibromomethyl)benzene
CID 3017302
CID 70496086
CID 70496086
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012

Frequently Asked Questions

What is the IUPAC name of azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride?
The IUPAC name of azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride (CID 175581102) is azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride.
What is the SMILES notation for azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride?
The canonical SMILES for azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride is Cl.FC(F)C(F)c1ccc(Cl)cc1.N.
What is the InChIKey of azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride?
The InChIKey is MJPLMHWPKIXCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3.ClH.H3N/c9-6-3-1-5(2-4-6)7(10)8(11)12;;/h1-4,7-8H;1H;1H3.
What are the key properties of azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride?
azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride has a molecular weight of 248.08 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride is sourced from PubChem (CID 175581102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).