2-(difluoromethoxy)cyclohexan-1-amine

C7H13F2NO — CID 84717033

IUPAC2-(difluoromethoxy)cyclohexan-1-amine
SMILESNC1CCCCC1OC(F)F
InChIInChI=1S/C7H13F2NO/c8-7(9)11-6-4-2-1-3-5(6)10/h5-7H,1-4,10H2
InChIKeyDOMHTRAXANSGMB-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.50
Rot. Bonds2

About 2-(difluoromethoxy)cyclohexan-1-amine

2-(difluoromethoxy)cyclohexan-1-amine (PubChem CID 84717033) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2-(difluoromethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(difluoromethoxy)cyclohexan-1-amine
PubChem CID84717033
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2-(difluoromethoxy)cyclohexan-1-amine
SMILESNC1CCCCC1OC(F)F
InChIInChI=1S/C7H13F2NO/c8-7(9)11-6-4-2-1-3-5(6)10/h5-7H,1-4,10H2
InChIKeyDOMHTRAXANSGMB-UHFFFAOYSA-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-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine
CID 94519420
cis-(1R,2S)-2-propan-2-yloxycyclopentan-1-amine
CID 94519427
1-(difluoromethoxy)-2-(isocyanomethyl)cyclohexane
CID 84770970
[(1S,2S)-2-aminocyclohexyl] formate
CID 87077504
cis-(1S,2R)-2-methoxycycloheptan-1-amine
CID 30817490
cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride
CID 67541561
(3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
CID 129231191
ethyl 2-(2-aminocyclohexyl)oxypropanoate
CID 106940844
2-(2-aminocyclohexyl)oxy-1-pyrrolidin-1-ylpropan-1-one
CID 113395322
[(1R,2R)-2-aminocyclohexyl] carbamate
CID 145235379
2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride
CID 172642150
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)cyclohexan-1-amine?
The IUPAC name of 2-(difluoromethoxy)cyclohexan-1-amine (CID 84717033) is 2-(difluoromethoxy)cyclohexan-1-amine.
What is the SMILES notation for 2-(difluoromethoxy)cyclohexan-1-amine?
The canonical SMILES for 2-(difluoromethoxy)cyclohexan-1-amine is NC1CCCCC1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)cyclohexan-1-amine?
The InChIKey is DOMHTRAXANSGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)11-6-4-2-1-3-5(6)10/h5-7H,1-4,10H2.
What are the key properties of 2-(difluoromethoxy)cyclohexan-1-amine?
2-(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 2-(difluoromethoxy)cyclohexan-1-amine is sourced from PubChem (CID 84717033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).