[1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine

C13H14ClF4N — CID 117113496

IUPAC[1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2c(F)c(F)c(Cl)c(F)c2F)CCCCC1
InChIInChI=1S/C13H14ClF4N/c14-8-11(17)9(15)7(10(16)12(8)18)13(6-19)4-2-1-3-5-13/h1-6,19H2
InChIKeyOFBKBPWEBWFRQN-UHFFFAOYSA-N
MW295.71 g/mol
LogP4.06
Rot. Bonds2

About [1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine

[1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine (PubChem CID 117113496) has the molecular formula C13H14ClF4N and a molecular weight of 295.71 g/mol. Its IUPAC name is [1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine
PubChem CID117113496
Molecular FormulaC13H14ClF4N
Molecular Weight295.71 g/mol
Exact Mass295.08
IUPAC Name[1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2c(F)c(F)c(Cl)c(F)c2F)CCCCC1
InChIInChI=1S/C13H14ClF4N/c14-8-11(17)9(15)7(10(16)12(8)18)13(6-19)4-2-1-3-5-13/h1-6,19H2
InChIKeyOFBKBPWEBWFRQN-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.71
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
CID 117366660
2-[1-(aminomethyl)cyclohexyl]-4-chloro-3-fluorophenol
CID 117397913
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
CID 117403554
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclohexan-1-amine
CID 117114683
[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine
CID 117343836
2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
CID 117464477
[1-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine (CID 117113496) is [1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine is NCC1(c2c(F)c(F)c(Cl)c(F)c2F)CCCCC1.
What is the InChIKey of [1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine?
The InChIKey is OFBKBPWEBWFRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF4N/c14-8-11(17)9(15)7(10(16)12(8)18)13(6-19)4-2-1-3-5-13/h1-6,19H2.
What are the key properties of [1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine?
[1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine has a molecular weight of 295.71 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117113496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).