4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol

C9H17F2NO2 — CID 106172993

IUPAC4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol
SMILESOCC(F)(F)CNC1CCC(O)CC1
InChIInChI=1S/C9H17F2NO2/c10-9(11,6-13)5-12-7-1-3-8(14)4-2-7/h7-8,12-14H,1-6H2
InChIKeyUUKXOWYESVPGOU-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.51
Rot. Bonds4

About 4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol

4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol (PubChem CID 106172993) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol
PubChem CID106172993
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol
SMILESOCC(F)(F)CNC1CCC(O)CC1
InChIInChI=1S/C9H17F2NO2/c10-9(11,6-13)5-12-7-1-3-8(14)4-2-7/h7-8,12-14H,1-6H2
InChIKeyUUKXOWYESVPGOU-UHFFFAOYSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-N-(4-hydroxycyclohexyl)acetamide
CID 59818256
(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
cis-(1S,6R)-6-(butylamino)-2,2-difluorocyclohexan-1-ol
CID 167026639
cis-(1S,6R)-2,2-difluoro-6-(pentylamino)cyclohexan-1-ol
CID 167026823
cis-(1R,6S)-6-(butylamino)-2,2-difluorocyclohexan-1-ol
CID 167027214
N-propan-2-yl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 169842777

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol (CID 106172993) is 4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol is OCC(F)(F)CNC1CCC(O)CC1.
What is the InChIKey of 4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol?
The InChIKey is UUKXOWYESVPGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c10-9(11,6-13)5-12-7-1-3-8(14)4-2-7/h7-8,12-14H,1-6H2.
What are the key properties of 4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol?
4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol has a molecular weight of 209.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoro-3-hydroxypropyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 106172993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).