4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol

C10H19F2NO2 — CID 163295668

IUPAC4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol
SMILESCOCCC(F)(F)C1(O)CCC(N)CC1
InChIInChI=1S/C10H19F2NO2/c1-15-7-6-10(11,12)9(14)4-2-8(13)3-5-9/h8,14H,2-7,13H2,1H3
InChIKeyNETHAIMDTYIPIU-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.29
Rot. Bonds4

About 4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol

4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol (PubChem CID 163295668) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol
PubChem CID163295668
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol
SMILESCOCCC(F)(F)C1(O)CCC(N)CC1
InChIInChI=1S/C10H19F2NO2/c1-15-7-6-10(11,12)9(14)4-2-8(13)3-5-9/h8,14H,2-7,13H2,1H3
InChIKeyNETHAIMDTYIPIU-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 71246267
4-Ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 97179628
4-Amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol
CID 163294779
4-(2-Methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 163294943
4-Amino-1-(1,1-difluoroethyl)cyclohexan-1-ol
CID 163294949
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine;ethane
CID 163295550
4-Amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride
CID 163295718
4-Amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol
CID 163295719
3,3-Difluoro-1-oxaspiro[3.5]nonan-7-amine;ethane
CID 163296024
4-Amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol
CID 169095003
2-Amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol
CID 175955458
2-Amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol
CID 175955488

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol (CID 163295668) is 4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol is COCCC(F)(F)C1(O)CCC(N)CC1.
What is the InChIKey of 4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol?
The InChIKey is NETHAIMDTYIPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-15-7-6-10(11,12)9(14)4-2-8(13)3-5-9/h8,14H,2-7,13H2,1H3.
What are the key properties of 4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol?
4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol has a molecular weight of 223.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol is sourced from PubChem (CID 163295668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).