cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine

C6H11F2NO — CID 124594476

IUPACcis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine
SMILESN[C@@H]1CC[C@H](OC(F)F)C1
InChIInChI=1S/C6H11F2NO/c7-6(8)10-5-2-1-4(9)3-5/h4-6H,1-3,9H2/t4-,5+/m1/s1
InChIKeyBSKXSHHPXOUPLU-UHNVWZDZSA-N
MW151.16 g/mol
LogP1.11
Rot. Bonds2

About cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine

cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine (PubChem CID 124594476) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine
PubChem CID124594476
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Namecis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine
SMILESN[C@@H]1CC[C@H](OC(F)F)C1
InChIInChI=1S/C6H11F2NO/c7-6(8)10-5-2-1-4(9)3-5/h4-6H,1-3,9H2/t4-,5+/m1/s1
InChIKeyBSKXSHHPXOUPLU-UHNVWZDZSA-N
XLogP1.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707197
cis-(1R,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707198
3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride
CID 127263764
2-(3-aminocyclopentyl)oxypropan-1-ol
CID 130502869
2-[3-(difluoromethoxy)cyclopentyl]acetic acid
CID 84720257
cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride
CID 175891524
trans-(1R,3R)-3-methoxycyclopentan-1-amine;hydrochloride
CID 118523425
2-[3-(difluoromethoxy)cyclopentyl]-N-methylethanamine
CID 84720014
1-(bromomethyl)-3-(difluoromethoxy)cyclohexane
CID 170898300
1-(difluoromethoxy)-4-methylcyclohexane;ethane
CID 142353854
bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate
CID 175006721
1-(difluoromethoxy)-4-methylcyclohexane;ethene
CID 158991402

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine (CID 124594476) is cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine is N[C@@H]1CC[C@H](OC(F)F)C1.
What is the InChIKey of cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine?
The InChIKey is BSKXSHHPXOUPLU-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)10-5-2-1-4(9)3-5/h4-6H,1-3,9H2/t4-,5+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine?
cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine has a molecular weight of 151.16 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine is sourced from PubChem (CID 124594476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).