(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol

C14H27F2NO2 — CID 57106503

IUPAC(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol
SMILESCC(C)OCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H27F2NO2/c1-10(2)19-9-14(15,16)13(18)12(17)8-11-6-4-3-5-7-11/h10-13,18H,3-9,17H2,1-2H3/t12-,13+/m0/s1
InChIKeyDDQARMGHHJZEGT-QWHCGFSZSA-N
MW279.37 g/mol
LogP2.71
Rot. Bonds7

About (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol

(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol (PubChem CID 57106503) has the molecular formula C14H27F2NO2 and a molecular weight of 279.37 g/mol. Its IUPAC name is (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol
PubChem CID57106503
Molecular FormulaC14H27F2NO2
Molecular Weight279.37 g/mol
Exact Mass279.20
IUPAC Name(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol
SMILESCC(C)OCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H27F2NO2/c1-10(2)19-9-14(15,16)13(18)12(17)8-11-6-4-3-5-7-11/h10-13,18H,3-9,17H2,1-2H3/t12-,13+/m0/s1
InChIKeyDDQARMGHHJZEGT-QWHCGFSZSA-N
XLogP2.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol?
The IUPAC name of (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol (CID 57106503) is (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol.
What is the SMILES notation for (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol?
The canonical SMILES for (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol is CC(C)OCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol?
The InChIKey is DDQARMGHHJZEGT-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H27F2NO2/c1-10(2)19-9-14(15,16)13(18)12(17)8-11-6-4-3-5-7-11/h10-13,18H,3-9,17H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol?
(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol has a molecular weight of 279.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol is sourced from PubChem (CID 57106503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).