4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol

C9H15F4NO — CID 106289850

IUPAC4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol
SMILESOC1CCC(NCC(F)(F)C(F)F)CC1
InChIInChI=1S/C9H15F4NO/c10-8(11)9(12,13)5-14-6-1-3-7(15)4-2-6/h6-8,14-15H,1-5H2
InChIKeyWEDMNZLLGHAXAI-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.78
Rot. Bonds4

About 4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol

4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol (PubChem CID 106289850) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol
PubChem CID106289850
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC Name4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol
SMILESOC1CCC(NCC(F)(F)C(F)F)CC1
InChIInChI=1S/C9H15F4NO/c10-8(11)9(12,13)5-14-6-1-3-7(15)4-2-6/h6-8,14-15H,1-5H2
InChIKeyWEDMNZLLGHAXAI-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trifluoro-N-(4-hydroxycyclohexyl)acetamide
CID 59818256
2,2,3,3,3-Pentafluoro-N-[trans-4-hydroxycyclohexyl]propanamide
CID 91697597
2,2,3,3,4,4,4-Heptafluoro-N-[trans-4-hydroxycyclohexyl]butanamide
CID 91697599
N-methyl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 59453608
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
(1S,6R)-6-(ethylamino)-2,2-difluorocyclohexan-1-ol
CID 121359023
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol (CID 106289850) is 4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol is OC1CCC(NCC(F)(F)C(F)F)CC1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol?
The InChIKey is WEDMNZLLGHAXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c10-8(11)9(12,13)5-14-6-1-3-7(15)4-2-6/h6-8,14-15H,1-5H2.
What are the key properties of 4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol?
4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol has a molecular weight of 229.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropylamino)cyclohexan-1-ol is sourced from PubChem (CID 106289850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).