trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine

C7H13F2NO — CID 99707197

IUPACtrans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine
SMILESN[C@H]1CCC[C@H](OC(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h5-7H,1-4,10H2/t5-,6-/m0/s1
InChIKeyUSDBMIDEVGRNIN-WDSKDSINSA-N
MW165.18 g/mol
LogP1.50
Rot. Bonds2

About trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine

trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine (PubChem CID 99707197) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine
PubChem CID99707197
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Nametrans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine
SMILESN[C@H]1CCC[C@H](OC(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h5-7H,1-4,10H2/t5-,6-/m0/s1
InChIKeyUSDBMIDEVGRNIN-WDSKDSINSA-N
XLogP1.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707198
cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine
CID 124594476
3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride
CID 127263764
1-(bromomethyl)-3-(difluoromethoxy)cyclohexane
CID 170898300
1-(difluoromethoxy)-3-propan-2-ylcyclohexane
CID 89268297
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
2-[3-(difluoromethoxy)cyclohexyl]acetic acid
CID 84722601
3-cyclohexyloxycyclohexan-1-amine
CID 79464649
3-(1-ethoxypropan-2-yloxy)cyclohexan-1-amine
CID 103487552
2-(3-aminocyclohexyl)oxybutanoic acid
CID 106940597
2-(3-aminocyclohexyl)oxy-N-propan-2-ylpropanamide
CID 79465179
2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide
CID 79466116

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine?
The IUPAC name of trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine (CID 99707197) is trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine is N[C@H]1CCC[C@H](OC(F)F)C1.
What is the InChIKey of trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine?
The InChIKey is USDBMIDEVGRNIN-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h5-7H,1-4,10H2/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine?
trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine has a molecular weight of 165.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine is sourced from PubChem (CID 99707197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).