1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

C12H14ClF4N — CID 79660522

IUPAC1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C(F)(F)C(F)F
InChIInChI=1S/C12H14ClF4N/c1-2-7-18-10(12(16,17)11(14)15)8-3-5-9(13)6-4-8/h3-6,10-11,18H,2,7H2,1H3
InChIKeySQRTXSJZJSUBMI-UHFFFAOYSA-N
MW283.70 g/mol
LogP4.28
Rot. Bonds6

About 1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (PubChem CID 79660522) has the molecular formula C12H14ClF4N and a molecular weight of 283.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
PubChem CID79660522
Molecular FormulaC12H14ClF4N
Molecular Weight283.70 g/mol
Exact Mass283.08
IUPAC Name1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C(F)(F)C(F)F
InChIInChI=1S/C12H14ClF4N/c1-2-7-18-10(12(16,17)11(14)15)8-3-5-9(13)6-4-8/h3-6,10-11,18H,2,7H2,1H3
InChIKeySQRTXSJZJSUBMI-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644553
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 79644292
1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059844
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(4-bromo-2,5-difluorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660900
1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 80535785
N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302959
1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 114249160
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine
CID 65127726

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (CID 79660522) is 1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is CCCNC(c1ccc(Cl)cc1)C(F)(F)C(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The InChIKey is SQRTXSJZJSUBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF4N/c1-2-7-18-10(12(16,17)11(14)15)8-3-5-9(13)6-4-8/h3-6,10-11,18H,2,7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine has a molecular weight of 283.70 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is sourced from PubChem (CID 79660522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).