4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine

C11H20FNO — CID 130943889

IUPAC4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine
SMILESCC1(CNC2CCC(F)CC2)COC1
InChIInChI=1S/C11H20FNO/c1-11(7-14-8-11)6-13-10-4-2-9(12)3-5-10/h9-10,13H,2-8H2,1H3
InChIKeyIJPWYPVYZLERKE-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.89
Rot. Bonds3

About 4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine

4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine (PubChem CID 130943889) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine
PubChem CID130943889
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine
SMILESCC1(CNC2CCC(F)CC2)COC1
InChIInChI=1S/C11H20FNO/c1-11(7-14-8-11)6-13-10-4-2-9(12)3-5-10/h9-10,13H,2-8H2,1H3
InChIKeyIJPWYPVYZLERKE-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-Methoxypropyl)cyclohexanamine
CID 28674201
N-(3-methoxypropyl)cyclohexanamine hydrochloride
CID 138987566
2-fluoro-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexan-1-amine
CID 178010190
2-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-propan-2-ylcyclohexan-1-amine
CID 178010653
N-[(3-methyloxetan-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 80125065
N-[(3-methyloxetan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 80125933
N-[(3-methyloxetan-3-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 80131187
5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine
CID 115519058
6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine
CID 116534899
(1R,2R)-2-fluoro-N-[3-(propan-2-yloxy)propyl]cyclohexan-1-amine
CID 126847786
(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine
CID 126847788
(1R,2R)-N-(3-ethoxypropyl)-2-fluorocyclohexan-1-amine
CID 126847793

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine (CID 130943889) is 4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine is CC1(CNC2CCC(F)CC2)COC1.
What is the InChIKey of 4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is IJPWYPVYZLERKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(7-14-8-11)6-13-10-4-2-9(12)3-5-10/h9-10,13H,2-8H2,1H3.
What are the key properties of 4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine?
4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 201.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 130943889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).