4-amino-4-(3-fluoropropyl)cyclohexan-1-ol

C9H18FNO — CID 164649084

IUPAC4-amino-4-(3-fluoropropyl)cyclohexan-1-ol
SMILESNC1(CCCF)CCC(O)CC1
InChIInChI=1S/C9H18FNO/c10-7-1-4-9(11)5-2-8(12)3-6-9/h8,12H,1-7,11H2
InChIKeyYDIWRWCYFLAVFE-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.37
Rot. Bonds3

About 4-amino-4-(3-fluoropropyl)cyclohexan-1-ol

4-amino-4-(3-fluoropropyl)cyclohexan-1-ol (PubChem CID 164649084) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-amino-4-(3-fluoropropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-4-(3-fluoropropyl)cyclohexan-1-ol
PubChem CID164649084
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-amino-4-(3-fluoropropyl)cyclohexan-1-ol
SMILESNC1(CCCF)CCC(O)CC1
InChIInChI=1S/C9H18FNO/c10-7-1-4-9(11)5-2-8(12)3-6-9/h8,12H,1-7,11H2
InChIKeyYDIWRWCYFLAVFE-UHFFFAOYSA-N
XLogP1.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3-fluoropropyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-4-(3-fluoropropyl)cyclohexan-1-ol (CID 164649084) is 4-amino-4-(3-fluoropropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-4-(3-fluoropropyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-4-(3-fluoropropyl)cyclohexan-1-ol is NC1(CCCF)CCC(O)CC1.
What is the InChIKey of 4-amino-4-(3-fluoropropyl)cyclohexan-1-ol?
The InChIKey is YDIWRWCYFLAVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-7-1-4-9(11)5-2-8(12)3-6-9/h8,12H,1-7,11H2.
What are the key properties of 4-amino-4-(3-fluoropropyl)cyclohexan-1-ol?
4-amino-4-(3-fluoropropyl)cyclohexan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3-fluoropropyl)cyclohexan-1-ol is sourced from PubChem (CID 164649084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).