3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine

C12H14ClF2N — CID 112567073

IUPAC3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
SMILESNCC(F)(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C12H14ClF2N/c13-10-2-1-3-11(14)9(10)6-12(15,7-16)8-4-5-8/h1-3,8H,4-7,16H2
InChIKeyJTUFLBKLRJZCNQ-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.10
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine

3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine (PubChem CID 112567073) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
PubChem CID112567073
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
SMILESNCC(F)(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C12H14ClF2N/c13-10-2-1-3-11(14)9(10)6-12(15,7-16)8-4-5-8/h1-3,8H,4-7,16H2
InChIKeyJTUFLBKLRJZCNQ-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567120
3-(3-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567039
(2S)-2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42329945
3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159985
1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 63528053
2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine
CID 81014810
2-[(2-chloro-6-fluorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523052
3-(aminomethyl)-4-(2-chloro-6-fluorophenyl)-3-phenylbutan-2-ol
CID 66431963
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-1-chloro-3-fluorobenzene
CID 63518313
1-amino-3-(3-chloro-2-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 102857003
1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112653170

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine (CID 112567073) is 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine is NCC(F)(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
The InChIKey is JTUFLBKLRJZCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-10-2-1-3-11(14)9(10)6-12(15,7-16)8-4-5-8/h1-3,8H,4-7,16H2.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine?
3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine has a molecular weight of 245.70 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine is sourced from PubChem (CID 112567073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).