(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine

C13H15F4N — CID 171230086

IUPAC(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine
SMILESN[C@H](c1c(F)c(F)cc(F)c1F)C1CCCCC1
InChIInChI=1S/C13H15F4N/c14-8-6-9(15)12(17)10(11(8)16)13(18)7-4-2-1-3-5-7/h6-7,13H,1-5,18H2/t13-/m0/s1
InChIKeyBTVYNGIFCKPQHB-ZDUSSCGKSA-N
MW261.26 g/mol
LogP3.82
Rot. Bonds2

About (S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine

(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine (PubChem CID 171230086) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is (S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine
PubChem CID171230086
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine
SMILESN[C@H](c1c(F)c(F)cc(F)c1F)C1CCCCC1
InChIInChI=1S/C13H15F4N/c14-8-6-9(15)12(17)10(11(8)16)13(18)7-4-2-1-3-5-7/h6-7,13H,1-5,18H2/t13-/m0/s1
InChIKeyBTVYNGIFCKPQHB-ZDUSSCGKSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
CID 28501633
2-[(R)-amino(cyclohexyl)methyl]-3,4,5-trifluorophenol;hydrochloride
CID 171257718
2-[(R)-amino(cyclopentyl)methyl]-6-bromo-3,4-difluorophenol
CID 171257846
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
(S)-cyclohexyl-(2,3,5-trifluorophenyl)methanamine
CID 171224857
(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171206717
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
CID 131484031
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
(R)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171215645
(S)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171235278
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine?
The IUPAC name of (S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine (CID 171230086) is (S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine.
What is the SMILES notation for (S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine?
The canonical SMILES for (S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine is N[C@H](c1c(F)c(F)cc(F)c1F)C1CCCCC1.
What is the InChIKey of (S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine?
The InChIKey is BTVYNGIFCKPQHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15F4N/c14-8-6-9(15)12(17)10(11(8)16)13(18)7-4-2-1-3-5-7/h6-7,13H,1-5,18H2/t13-/m0/s1.
What are the key properties of (S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine?
(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine has a molecular weight of 261.26 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine is sourced from PubChem (CID 171230086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).