trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine

C9H18FN — CID 174265747

IUPACtrans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)[C@@]1(F)CCCC[C@@H]1N
InChIInChI=1S/C9H18FN/c1-7(2)9(10)6-4-3-5-8(9)11/h7-8H,3-6,11H2,1-2H3/t8-,9-/m0/s1
InChIKeySAWPOZWHWUVRJY-IUCAKERBSA-N
MW159.25 g/mol
LogP2.25
Rot. Bonds1

About trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine

trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine (PubChem CID 174265747) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine
PubChem CID174265747
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Nametrans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)[C@@]1(F)CCCC[C@@H]1N
InChIInChI=1S/C9H18FN/c1-7(2)9(10)6-4-3-5-8(9)11/h7-8H,3-6,11H2,1-2H3/t8-,9-/m0/s1
InChIKeySAWPOZWHWUVRJY-IUCAKERBSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 170384462
2-fluoro-2-propan-2-ylcyclopentan-1-amine
CID 174265419
spiro[5.6]dodecan-12-amine
CID 15021866
(8S)-spiro[2.5]octan-8-amine
CID 89147381
(8R)-spiro[2.5]octan-8-amine
CID 89147380
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
(1R)-3,3-difluorocycloheptan-1-amine
CID 97055145
2,2-difluorocyclohexan-1-amine;formic acid
CID 126843056
11-methylspiro[5.5]undecan-5-amine
CID 138665061
2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine
CID 137442786
1-(3-cyclohexyl-2,4-dimethylpentan-3-yl)cyclohexane-1,2-diamine
CID 67772084
2-cycloheptyl-2-methylcycloheptan-1-amine
CID 160840107

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine (CID 174265747) is trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine is CC(C)[C@@]1(F)CCCC[C@@H]1N.
What is the InChIKey of trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is SAWPOZWHWUVRJY-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)9(10)6-4-3-5-8(9)11/h7-8H,3-6,11H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine?
trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 174265747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).