2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol

C10H19F2NO2 — CID 104860559

IUPAC2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol
SMILESCOC1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C10H19F2NO2/c1-15-9-4-2-8(3-5-9)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3
InChIKeyNRGWCXDTWWDLRQ-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.16
Rot. Bonds5

About 2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol

2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol (PubChem CID 104860559) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol
PubChem CID104860559
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol
SMILESCOC1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C10H19F2NO2/c1-15-9-4-2-8(3-5-9)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3
InChIKeyNRGWCXDTWWDLRQ-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 59453608
4-(2,2-difluoropropoxy)-N-methylcyclohexan-1-amine
CID 59453620
4-(difluoromethoxy)-N-methylcyclohexan-1-amine
CID 59453686
(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol
CID 59603982
(1S,6R)-2,2-difluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357673
4-(2,2-Difluoropropylamino)cyclohexan-1-ol
CID 130636934
4-(2,2-Difluorobutylamino)cyclohexan-1-ol
CID 137318059
2-(2,2-Difluoropropylamino)cyclohexan-1-ol
CID 157543131
2-(2,2-Difluorobutylamino)cyclohexan-1-ol
CID 157543132
4-(2,2,4,4-Tetrafluoropentylamino)cyclohexan-1-ol
CID 157543133
2-(2,2,4,4-Tetrafluoropentylamino)cyclohexan-1-ol
CID 157543134
cis-(1S,6R)-6-(butylamino)-2,2-difluorocyclohexan-1-ol
CID 167026639

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol (CID 104860559) is 2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol is COC1CCC(NCC(F)(F)CO)CC1.
What is the InChIKey of 2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol?
The InChIKey is NRGWCXDTWWDLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-15-9-4-2-8(3-5-9)13-6-10(11,12)7-14/h8-9,13-14H,2-7H2,1H3.
What are the key properties of 2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol?
2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol has a molecular weight of 223.26 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(4-methoxycyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 104860559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).