trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine

C10H20FN — CID 126847801

IUPACtrans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine
SMILESCCC(C)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C10H20FN/c1-3-8(2)12-10-7-5-4-6-9(10)11/h8-10,12H,3-7H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyMKKZFXXFJWBCBL-VXRWAFEHSA-N
MW173.28 g/mol
LogP2.66
Rot. Bonds3

About trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine

trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine (PubChem CID 126847801) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine
PubChem CID126847801
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Nametrans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine
SMILESCCC(C)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C10H20FN/c1-3-8(2)12-10-7-5-4-6-9(10)11/h8-10,12H,3-7H2,1-2H3/t8?,9-,10-/m1/s1
InChIKeyMKKZFXXFJWBCBL-VXRWAFEHSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine
CID 165095676
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine
CID 126847843
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
N-butan-2-yl-2-methoxycyclopentan-1-amine
CID 62089078
N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79694697
cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile
CID 129368082
trans-(1R,2R)-N-ethyl-2-fluorocyclopentan-1-amine
CID 126847838
2-ethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 21355496
cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
CID 164886232

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine (CID 126847801) is trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine is CCC(C)N[C@@H]1CCCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine?
The InChIKey is MKKZFXXFJWBCBL-VXRWAFEHSA-N. The full InChI is InChI=1S/C10H20FN/c1-3-8(2)12-10-7-5-4-6-9(10)11/h8-10,12H,3-7H2,1-2H3/t8?,9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine?
trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine has a molecular weight of 173.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine is sourced from PubChem (CID 126847801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).